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Nitromethane

fo-68c8c767b021151d

Identity

Type
Neutral molecule
CAS
75-52-5
EC
200-876-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Nitromethane

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LYGJENNIWJXYER-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/CH3NO2/c1-2(3)4/h1H3
IUPAC name chemrof:IUPAC_name Nitromethane
Molecular formula chemrof:molecular_formula CH3NO2
Molecular mass chemrof:molecular_mass 61.04
Monoisotopic mass chemrof:monoisotopic_mass 61.016378, 61.01638
SMILES string chemrof:smiles_string C[N+](=O)[O-]

Known URLs

29

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=75-52-5 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/PA958940.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77701 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.797 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.209.653 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0522 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020977 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=428 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL276924 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RU5WG8C3F4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255654 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.450.558J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.051.726C enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.393K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19275 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19275 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-8133 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44412 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6375 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1261 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11100413 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21860501 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26735907 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26800205 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4207867 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/999282 enrich_references.chebi_xrefs
reaxys reaxys:1698205 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q407733 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Nitromethane enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
98eaca51-c54a-4bf2-9115-a6d43083fe1e Environmental → Air → Aircraft cruise height EF 3.1 kg 6
e02bb010-bbef-4da2-b7b3-1ce36313916a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
7c4a4ceb-be99-4246-b03b-004b9ca0f537 Environmental → Air → Indoor EF 3.1 kg 6
55ed04bb-e92c-4fe8-8a71-696e5d12fa6d Environmental → Air → Long-term EF 3.1 kg 0
e0a9cb41-7cd4-4407-948e-cc7e4604bd5d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
59830a3c-8b7e-4206-b13f-d818115b24ce Environmental → Air → Unknown EF 3.1 kg 6
08e4ee90-8ba6-4f55-bf59-43da282fd5fb Environmental → Ground → Agricultural EF 3.1 kg 6
10222c4a-f451-4b59-9800-3b2fd04f205b Environmental → Ground → Non-agricultural EF 3.1 kg 6
70be088b-adb3-41a8-a46f-e0458b47e3f7 Environmental → Ground → Unknown EF 3.1 kg 6
6111bd42-b3a7-4327-bb8f-e4877cba7867 Environmental → Water → Long-term EF 3.1 kg 0
45af68dd-536b-4caa-b038-b54177e14a8b Environmental → Water → Ocean EF 3.1 kg 6
f95e1860-345f-4d7d-a735-dba7bae84fb4 Environmental → Water → Surface water EF 3.1 kg 6
75548e38-4330-4846-af2d-ff0a1697c02b Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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    {
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    {
      "@value": "Methane, nitro-",
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